Home Other Building Blocks 1010386-62-5
1010386-62-5,MFCD28968780
Catalog No.:AA0003I8
1010386-62-5 | Cy3-yne
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
95%
1 week  
$376.00   $263.00
- +
10mg
95%
1 week  
$606.00   $424.00
- +
50mg
95%
1 week  
$1,717.00   $1,202.00
- +
100mg
95%
1 week  
$2,908.00   $2,035.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003I8
Chemical Name:
Cy3-yne
CAS Number:
1010386-62-5
Molecular Formula:
C34H42N3O7S2+
Molecular Weight:
668.8432
MDL Number:
MFCD28968780
IUPAC Name:
2-[3-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI:
InChI=1S/C34H41N3O7S2/c1-7-20-35-32(38)15-10-9-11-21-37-29-19-17-25(46(42,43)44)23-27(29)34(5,6)31(37)14-12-13-30-33(3,4)26-22-24(45(39,40)41)16-18-28(26)36(30)8-2/h1,12-14,16-19,22-23H,8-11,15,20-21H2,2-6H3,(H2-,35,38,39,40,41,42,43,44)
InChI Key:
DVBDEKRWCVSXGU-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)CCCCCN1c2ccc(cc2C(C1=CC=CC1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)O
Properties
Computed Properties
 
Complexity:
1490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
667.239g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
667.836g/mol
Monoisotopic Mass:
667.239g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
3.8  

Synonyms
 
1010386-62-5 
Cy3-YNE 
Sulfo-Cy3-YNE 
KS-00001FDF 
2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate 
ACN-041198 
2-((E)-3-((Z)-3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate 
2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-su 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A